4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-2-hydroxy-benzoic acid CAS Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]-2-hydroxybenzoic acid IUPAC Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-hydroxybenzoic acid Traditional Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]-2-hydroxy-benzoic acid Formula: C21H13N3O4 MolecularWeight: 371.34562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)O)/C#N

InChI

InChI=1S/C21H13N3O4/c22-11-13(20-23-16-3-1-2-4-17(16)24-20)9-14-6-8-19(28-14)12-5-7-15(21(26)27)18(25)10-12/h1-10,25H,(H,23,24)(H,26,27)/b13-9+